⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4248773 | 0.87 | PPARD (0.39) | — | |
| SCHEMBL985919 | 0.75 | PDE4D (0.45) | — | |
| SCHEMBL987586 | 0.74 | CA1 (0.49) | — | |
| SCHEMBL4242773 | 0.74 | ESR1 (0.36) | — | |
| SCHEMBL983323 | 0.73 | CA1 (0.47) | — | |
| SCHEMBL13878848 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL985863 | 0.71 | CA1 (0.55) | — | |
| SCHEMBL985273 | 0.70 | CA1 (0.49) | — | |
| SCHEMBL987209 | 0.70 | CA1 (0.49) | — | |
| SCHEMBL985916 | 0.70 | CA1 (0.47) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090099133-A1 | Isoquinolines Derivatives as Igf-1R Inhibitors | ANALYTECON S.A. (CH) | 2009-04-16 | — | — | US | disclosed |